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pyPRISM: A Computational Tool for Liquid State Theory Calculations of...
Polymer Reference Interaction Site Model (PRISM) theory describes the equilibrium spatial-correlations of liquid-like polymer systems including melts, blends, solutions, block... -
Theory aware Machine Learning (TaML)
A code repository and accompanying data for incorporating imperfect theory into machine learning for improved prediction and explainability. Specifically, it focuses on the case...